1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate

C15H26O5 — CID 54329699

IUPAC1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC1CCCO1)C(=O)OC
InChIInChI=1S/C15H26O5/c1-6-15(4,13(17)18-5)10-14(2,3)12(16)20-11-8-7-9-19-11/h11H,6-10H2,1-5H3
InChIKeySXLTVXAZOLOENJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.67
Rot. Bonds6

About 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate

1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate (PubChem CID 54329699) has the molecular formula C15H26O5 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate.

Molecular Properties

Compound Name1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate
PubChem CID54329699
Molecular FormulaC15H26O5
Molecular Weight286.37 g/mol
Exact Mass286.18
IUPAC Name1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate
SMILESCCC(C)(CC(C)(C)C(=O)OC1CCCO1)C(=O)OC
InChIInChI=1S/C15H26O5/c1-6-15(4,13(17)18-5)10-14(2,3)12(16)20-11-8-7-9-19-11/h11H,6-10H2,1-5H3
InChIKeySXLTVXAZOLOENJ-UHFFFAOYSA-N
XLogP2.67
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-3-ethyl-2-methoxyoxolan-3-yl]propanoic acid
CID 11148366
[(2R,3R,3aR,6aR)-3-tert-butyl-5-oxo-3,3a,4,6a-tetrahydro-2H-furo[2,3-b]furan-2-yl] acetate
CID 101536634
Ethyl 4-(1,3-dioxolan-2-yl)-2-ethylbutanoate
CID 121221361
Ethyl 4-(diethoxymethyl)hexanoate
CID 12952917
Methyl 4-(1,3-dioxolan-2-yl)hexanoate
CID 15014807
3-(1,1-Diethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716736
3-(1,1-Dimethoxy-2-methylbutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716737
3-(1,1-Dimethoxybutan-2-yl)-4-methyloxolane-2,5-dione
CID 18716738
4-(1,3-Dioxolan-2-yl)-2,2-dimethylhexanoic acid
CID 20705823
1-O-(2,2-dimethylbutanoyloxymethyl) 5-O-methyl 4-ethyl-2,2-dimethylpentanedioate
CID 21134944
5-O-ethyl 1-O-(oxan-2-yl) 2-ethyl-2,4-dimethylpentanedioate
CID 22979648
1-O-methyl 6-O-(oxolan-2-yl) 3,4-dimethylhexanedioate
CID 23514794

Frequently Asked Questions

What is the IUPAC name of 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate?
The IUPAC name of 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate (CID 54329699) is 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate.
What is the SMILES notation for 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate?
The canonical SMILES for 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate is CCC(C)(CC(C)(C)C(=O)OC1CCCO1)C(=O)OC.
What is the InChIKey of 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate?
The InChIKey is SXLTVXAZOLOENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26O5/c1-6-15(4,13(17)18-5)10-14(2,3)12(16)20-11-8-7-9-19-11/h11H,6-10H2,1-5H3.
What are the key properties of 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate?
1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate has a molecular weight of 286.37 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-methyl 5-O-(oxolan-2-yl) 2-ethyl-2,4,4-trimethylpentanedioate is sourced from PubChem (CID 54329699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).